==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-JUN-12 4FL7 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DI FIORE,G.DE SIMONE . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 27 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 1 0 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A H 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.3 9.8 0.2 8.7 2 5 A W + 0 0 46 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.130 360.0 134.2 -59.7 150.6 7.6 -1.5 11.2 3 6 A G - 0 0 7 5,-2.7 10,-0.1 2,-0.2 -1,-0.1 -0.743 63.9 -83.2-163.2-149.0 5.4 -4.4 10.3 4 7 A Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.093 82.6 111.1-126.4 21.1 4.4 -7.9 11.5 5 8 A G S > S- 0 0 40 1,-0.1 4,-1.5 4,-0.1 3,-0.4 -0.320 84.3 -96.6 -88.9 176.3 7.3 -9.9 10.2 6 9 A K T 4 S+ 0 0 172 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.832 123.5 39.4 -61.1 -33.8 10.1 -11.7 12.2 7 10 A H T 4 S+ 0 0 143 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.583 130.1 24.3 -96.7 -8.4 12.4 -8.7 11.7 8 11 A N T 4 S+ 0 0 57 -3,-0.4 -5,-2.7 -6,-0.1 -2,-0.2 0.208 95.1 118.3-138.8 15.1 10.1 -5.8 12.0 9 12 A G S >X S- 0 0 3 -4,-1.5 3,-3.0 -5,-0.2 4,-0.9 0.046 83.3 -65.9 -77.4-174.1 7.2 -7.1 14.2 10 13 A P T 34 S+ 0 0 29 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.749 128.3 59.9 -41.3 -38.4 5.8 -6.2 17.6 11 14 A E T 34 S+ 0 0 145 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.599 109.7 44.7 -72.3 -8.6 9.0 -7.3 19.5 12 15 A H T X4 S+ 0 0 61 -3,-3.0 3,-1.7 2,-0.1 4,-0.5 0.627 87.2 87.4-106.2 -21.2 10.9 -4.7 17.5 13 16 A W G >X S+ 0 0 5 -4,-0.9 4,-2.8 -3,-0.3 3,-0.8 0.800 74.4 70.5 -52.5 -36.8 8.6 -1.7 17.7 14 17 A H G 34 S+ 0 0 66 -4,-0.5 -1,-0.3 1,-0.2 6,-0.1 0.768 87.4 66.4 -55.5 -27.9 10.1 -0.4 21.0 15 18 A K G <4 S+ 0 0 130 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.926 117.4 23.0 -63.2 -44.4 13.3 0.6 19.3 16 19 A D T <4 S+ 0 0 128 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.755 135.5 39.9 -89.4 -26.1 11.6 3.3 17.2 17 20 A F >< - 0 0 56 -4,-2.8 3,-2.5 -5,-0.2 -1,-0.2 -0.724 64.7-179.0-127.3 81.2 8.7 3.7 19.6 18 21 A P G > S+ 0 0 99 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.760 77.0 74.0 -48.2 -32.9 9.9 3.5 23.2 19 22 A I G > S+ 0 0 58 1,-0.3 3,-2.6 2,-0.2 -5,-0.1 0.610 70.8 89.7 -62.6 -9.0 6.3 3.9 24.5 20 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.763 92.4 43.1 -58.2 -24.2 5.8 0.3 23.3 21 24 A K G < S+ 0 0 136 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 -0.005 97.3 132.2-109.4 26.1 6.9 -0.6 26.8 22 25 A G S < S- 0 0 16 -3,-2.6 3,-0.4 1,-0.1 -3,-0.0 0.121 71.3 -98.5 -69.1-174.3 4.8 2.2 28.4 23 26 A E S S+ 0 0 120 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.560 113.4 31.5 -86.8 -12.5 2.3 2.1 31.3 24 27 A R S S+ 0 0 48 224,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.313 80.0 156.4-143.8 59.1 -1.0 1.8 29.4 25 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.519 32.4 -96.5 -87.3 153.1 -0.3 -0.2 26.2 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.890 78.9 38.0-124.4 157.3 -2.8 -2.2 24.2 27 30 A P + 0 0 0 0, 0.0 218,-3.1 0, 0.0 2,-0.3 0.555 64.9 176.2 -82.3 179.6 -4.1 -4.8 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.908 36.6 -99.4-138.5 165.4 -4.5 -6.7 26.9 29 32 A D E -a 105 0A 28 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.736 33.7-137.8 -85.8 137.1 -6.0 -9.9 28.0 30 33 A I E -a 106 0A 0 75,-3.2 77,-2.4 -2,-0.4 2,-1.0 -0.866 11.4-159.3 -99.3 105.2 -9.4 -9.4 29.5 31 34 A D >> - 0 0 67 -2,-0.8 4,-1.5 75,-0.2 3,-0.9 -0.765 5.1-161.7 -84.3 103.7 -9.6 -11.6 32.6 32 35 A T T 34 S+ 0 0 43 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.748 85.7 53.7 -60.7 -28.3 -13.4 -11.8 33.0 33 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.750 112.5 43.8 -80.5 -21.6 -13.3 -12.9 36.6 34 37 A T T <4 S+ 0 0 109 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.657 90.4 99.1 -94.6 -19.9 -11.1 -10.0 37.6 35 38 A A < - 0 0 17 -4,-1.5 2,-0.4 218,-0.1 218,-0.2 -0.474 68.5-142.3 -67.3 139.0 -13.1 -7.4 35.6 36 39 A K E -c 253 0B 143 216,-1.7 218,-2.7 -2,-0.1 2,-0.1 -0.890 12.9-114.5-112.9 135.7 -15.5 -5.5 37.9 37 40 A Y E -c 254 0B 86 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.422 30.5-151.9 -62.5 132.9 -19.0 -4.3 37.2 38 41 A D > - 0 0 31 216,-2.8 3,-1.4 -2,-0.1 -1,-0.1 -0.892 18.1-174.8-115.4 105.4 -19.0 -0.5 37.3 39 42 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.641 81.9 71.5 -72.2 -10.1 -22.4 1.1 38.2 40 43 A S T 3 S+ 0 0 85 2,-0.1 2,-0.3 40,-0.0 -2,-0.0 0.597 75.3 103.1 -79.7 -10.4 -20.8 4.5 37.5 41 44 A L < - 0 0 30 -3,-1.4 3,-0.1 213,-0.2 213,-0.0 -0.561 67.5-140.9 -75.1 134.1 -20.9 3.8 33.8 42 45 A K E -D 79 0B 139 37,-1.5 37,-0.6 -2,-0.3 39,-0.1 -0.514 40.0 -75.6 -88.4 160.7 -23.7 5.5 31.9 43 46 A P E - 0 0 120 0, 0.0 36,-0.9 0, 0.0 2,-0.3 -0.277 53.9-114.7 -57.2 144.3 -25.5 3.7 29.1 44 47 A L E -D 78 0B 24 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.625 26.5-157.2 -82.0 140.0 -23.4 3.5 25.9 45 48 A S E +D 77 0B 33 32,-3.2 32,-2.3 -2,-0.3 2,-0.6 -0.957 13.8 179.0-124.7 114.4 -24.6 5.3 22.8 46 49 A V E -D 76 0B 31 -2,-0.5 2,-0.8 30,-0.2 30,-0.2 -0.938 6.7-180.0-113.8 103.9 -23.6 4.3 19.3 47 50 A S E +D 75 0B 39 28,-2.8 28,-2.0 -2,-0.6 3,-0.2 -0.823 20.4 147.5-110.5 92.5 -25.3 6.6 16.8 48 51 A Y > + 0 0 3 -2,-0.8 3,-1.6 26,-0.2 130,-0.2 0.234 35.2 108.2-107.8 11.5 -24.2 5.6 13.3 49 52 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.826 85.7 41.7 -59.8 -33.0 -27.4 6.4 11.4 50 53 A Q T 3 S+ 0 0 107 -3,-0.2 24,-0.3 23,-0.2 -1,-0.3 0.222 83.1 145.7-100.1 15.8 -25.9 9.5 9.7 51 54 A A < - 0 0 21 -3,-1.6 2,-0.6 22,-0.2 18,-0.1 -0.244 32.8-160.3 -57.1 133.5 -22.5 7.8 9.0 52 55 A T - 0 0 58 16,-0.3 16,-3.0 122,-0.1 2,-0.1 -0.867 4.5-164.6-121.6 98.1 -20.8 8.9 5.7 53 56 A S E +E 67 0B 0 -2,-0.6 121,-0.6 122,-0.3 14,-0.3 -0.478 9.3 179.2 -77.8 151.0 -18.2 6.6 4.4 54 57 A L E - 0 0 69 12,-3.1 118,-2.5 1,-0.4 2,-0.3 0.724 51.7 -24.4-119.0 -48.4 -15.8 7.9 1.7 55 58 A R E -EF 66 171B 85 11,-1.0 11,-2.9 116,-0.3 2,-0.4 -0.984 47.3-118.0-162.7 171.0 -13.3 5.3 0.7 56 59 A I E -EF 65 170B 0 114,-2.7 114,-2.2 -2,-0.3 2,-0.4 -0.954 28.3-168.1-121.8 138.4 -11.3 2.2 1.5 57 60 A L E -EF 64 169B 31 7,-2.3 7,-2.6 -2,-0.4 2,-0.8 -0.984 22.7-147.5-133.5 136.5 -7.5 2.1 1.7 58 61 A N E +E 63 0B 0 110,-2.6 109,-2.6 -2,-0.4 5,-0.2 -0.900 20.8 179.5 -96.8 111.5 -4.9 -0.6 2.0 59 62 A N - 0 0 48 3,-2.2 4,-0.1 -2,-0.8 -1,-0.1 0.228 53.2-101.1 -99.0 14.2 -2.1 1.1 4.1 60 63 A G S S+ 0 0 6 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.425 118.3 55.2 84.7 -2.9 0.2 -1.9 4.1 61 64 A H S S- 0 0 29 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.541 124.5 -32.7-127.5 -35.6 -0.8 -3.0 7.6 62 65 A A S S- 0 0 6 -5,-0.1 -3,-2.2 165,-0.1 -1,-0.6 -0.888 70.5 -86.7-166.3-171.4 -4.5 -3.3 7.2 63 66 A F E -E 58 0B 0 -2,-0.3 2,-0.5 29,-0.3 29,-0.4 -0.972 34.2-153.2-119.5 133.0 -7.4 -1.7 5.3 64 67 A N E -E 57 0B 21 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.7 -0.902 9.4-155.1-108.2 129.5 -9.2 1.4 6.5 65 68 A V E -EG 56 90B 0 25,-2.5 25,-1.6 -2,-0.5 2,-0.3 -0.917 29.6-154.7 -96.7 114.0 -12.8 2.3 5.7 66 69 A E E -EG 55 89B 44 -11,-2.9 -12,-3.1 -2,-0.7 -11,-1.0 -0.701 7.6-155.0 -96.9 147.0 -12.6 6.1 6.1 67 70 A F E -E 53 0B 10 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.806 27.8-104.6-119.2 159.0 -15.5 8.4 7.0 68 71 A D + 0 0 52 -16,-3.0 -16,-0.3 -2,-0.3 3,-0.3 -0.737 41.1 171.0 -79.6 110.3 -16.3 12.1 6.5 69 72 A D + 0 0 40 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.062 45.4 105.5-111.7 24.5 -15.7 13.5 10.0 70 73 A S S S+ 0 0 85 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.519 85.3 39.0 -79.8 -6.0 -16.0 17.2 9.1 71 74 A Q S S- 0 0 111 -3,-0.3 2,-1.4 3,-0.0 3,-0.2 -0.938 99.7 -89.9-140.0 162.5 -19.5 17.2 10.7 72 75 A D S S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.590 78.0 116.9 -76.0 93.4 -21.2 15.8 13.7 73 76 A K + 0 0 61 -2,-1.4 2,-0.8 1,-0.3 -22,-0.2 0.509 62.5 31.8-120.0 -95.2 -22.6 12.5 12.3 74 77 A A S S+ 0 0 4 -24,-0.3 13,-2.6 13,-0.2 2,-0.3 -0.624 79.2 172.4 -73.7 108.4 -21.5 9.0 13.5 75 78 A V E -DH 47 86B 12 -28,-2.0 -28,-2.8 -2,-0.8 2,-0.4 -0.921 29.7-154.6-128.0 151.5 -20.8 9.5 17.1 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.2 -2,-0.3 2,-0.3 -0.964 32.3 146.2-117.4 132.3 -20.0 7.4 20.2 77 80 A K E +D 45 0B 99 -32,-2.3 -32,-3.2 -2,-0.4 7,-0.1 -0.920 31.5 47.7-154.2 176.7 -20.9 8.7 23.6 78 81 A G E > S+D 44 0B 18 5,-0.5 3,-1.9 3,-0.3 -34,-0.3 -0.288 74.4 75.0 79.2-168.1 -22.0 7.5 27.0 79 82 A G E 3 S-D 42 0B 4 -36,-0.9 -37,-1.5 -37,-0.6 -1,-0.2 -0.421 123.0 -20.2 62.9-134.4 -20.4 4.6 28.8 80 83 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.535 114.8 109.9 -83.9 -4.5 -17.0 5.6 30.3 81 84 A L < - 0 0 12 -3,-1.9 2,-0.6 -39,-0.1 -3,-0.3 -0.447 56.9-152.4 -81.4 144.8 -16.8 8.6 27.9 82 85 A D - 0 0 108 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.965 69.1 -15.1-110.6 116.4 -17.1 12.2 28.7 83 86 A G S S- 0 0 41 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.460 100.6 -37.2 92.5-162.2 -18.4 14.1 25.7 84 87 A T - 0 0 36 -2,-0.1 38,-2.6 -7,-0.1 2,-0.5 -0.894 42.3-163.6-113.5 134.1 -18.8 13.2 22.1 85 88 A Y E -HI 76 121B 3 -9,-2.2 -9,-2.8 -2,-0.4 2,-0.4 -0.962 14.8-142.9-117.2 130.2 -16.4 11.1 20.0 86 89 A R E -HI 75 120B 40 34,-2.8 34,-2.2 -2,-0.5 2,-0.3 -0.783 16.8-118.6-100.2 131.5 -16.6 11.2 16.2 87 90 A L E + I 0 119B 3 -13,-2.6 32,-0.3 -2,-0.4 -13,-0.2 -0.473 37.7 163.9 -67.1 126.1 -16.0 8.1 14.0 88 91 A I E - 0 0 36 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.712 60.5 -23.6-112.1 -35.5 -13.1 8.7 11.6 89 92 A Q E -GI 66 118B 35 29,-1.2 29,-3.0 -23,-0.2 -1,-0.4 -0.986 47.4-146.7-167.7 165.8 -12.3 5.1 10.4 90 93 A F E +GI 65 117B 0 -25,-1.6 -25,-2.5 -2,-0.3 2,-0.3 -0.983 20.8 159.8-141.5 152.9 -12.5 1.4 11.0 91 94 A H E - I 0 116B 19 25,-1.8 25,-3.3 -2,-0.3 2,-0.3 -0.923 25.5-123.2-157.4 177.1 -10.3 -1.6 10.2 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.843 0.9-147.8-129.4 164.4 -9.6 -5.1 11.3 93 96 A H E + I 0 114B 2 21,-1.8 21,-2.1 -2,-0.3 2,-0.3 -0.992 33.0 168.7-127.6 132.3 -6.8 -7.3 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.7 -0.929 23.7-119.1-144.3 170.0 -6.9 -10.9 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.429 24.0-118.0-107.1-179.2 -4.9 -14.1 11.5 96 99 A S S S+ 0 0 42 142,-0.1 2,-0.3 -2,-0.1 5,-0.1 0.632 105.5 31.9 -86.6 -16.5 -3.6 -16.7 9.1 97 100 A L S > S- 0 0 108 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.939 88.9-111.9-137.4 156.2 -5.8 -19.3 10.7 98 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.752 110.0 69.4 -62.2 -24.9 -9.2 -19.1 12.5 99 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.454 107.2 28.1 -75.3 0.4 -7.6 -19.9 15.8 100 103 A Q < + 0 0 53 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.2 -0.971 65.6 98.4-153.1 164.6 -5.8 -16.5 16.0 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.000 53.9 104.9 146.1 -37.2 -6.2 -12.9 14.8 102 105 A S - 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